(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidine-3-carboxamide

C12H23N3O3S — CID 94806388

IUPAC(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidine-3-carboxamide
SMILESC[C@H]1CCCN(S(=O)(=O)N2CCC[C@H](C(N)=O)C2)C1
InChIInChI=1S/C12H23N3O3S/c1-10-4-2-6-14(8-10)19(17,18)15-7-3-5-11(9-15)12(13)16/h10-11H,2-9H2,1H3,(H2,13,16)/t10-,11-/m0/s1
InChIKeyMZPJJXOXPYVMSQ-QWRGUYRKSA-N
MW289.40 g/mol
LogP0.16
Rot. Bonds3

About (3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidine-3-carboxamide

(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidine-3-carboxamide (PubChem CID 94806388) has the molecular formula C12H23N3O3S and a molecular weight of 289.40 g/mol. Its IUPAC name is (3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidine-3-carboxamide
PubChem CID94806388
Molecular FormulaC12H23N3O3S
Molecular Weight289.40 g/mol
Exact Mass289.15
IUPAC Name(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidine-3-carboxamide
SMILESC[C@H]1CCCN(S(=O)(=O)N2CCC[C@H](C(N)=O)C2)C1
InChIInChI=1S/C12H23N3O3S/c1-10-4-2-6-14(8-10)19(17,18)15-7-3-5-11(9-15)12(13)16/h10-11H,2-9H2,1H3,(H2,13,16)/t10-,11-/m0/s1
InChIKeyMZPJJXOXPYVMSQ-QWRGUYRKSA-N
XLogP0.16
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 47154847
1-piperidin-1-ylsulfonylpiperidine-3-carboxamide
CID 47149029
(3R)-1-[(3R)-3-methylpiperidin-1-yl]sulfonylpyrrolidine-3-carboxylic acid
CID 129410180
(3R)-1-methylsulfonylpiperidine-3-carboxamide
CID 92512001
1-(3-carbamoylpiperidin-1-yl)sulfonylpiperidine-4-carboxylic acid
CID 60857580
1-sulfamoylpiperidine-3-carboxamide
CID 43132049
1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 43503036
(3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 107225019
2-[1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidin-4-yl]acetamide
CID 94192743
4-methyl-1-(3-methylpiperidin-1-yl)sulfonylpiperidine-4-carbothioamide
CID 107161320
(3S)-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine
CID 115302221
(3R)-1-(3-methylpiperidin-1-yl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962874

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidine-3-carboxamide (CID 94806388) is (3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidine-3-carboxamide is C[C@H]1CCCN(S(=O)(=O)N2CCC[C@H](C(N)=O)C2)C1.
What is the InChIKey of (3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidine-3-carboxamide?
The InChIKey is MZPJJXOXPYVMSQ-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H23N3O3S/c1-10-4-2-6-14(8-10)19(17,18)15-7-3-5-11(9-15)12(13)16/h10-11H,2-9H2,1H3,(H2,13,16)/t10-,11-/m0/s1.
What are the key properties of (3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidine-3-carboxamide?
(3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidine-3-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 94806388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).